RN:
33069-62-4
33069626 (but this is struckout online)
330696249 (but this is struckout online)

MF:
C47H51NO14
C47H51NO14�
NAME (Name is not a formula)
C46H51NO14 (why are there four formulas for one structure….and one is text “Name”

MW:
853.92024
841.90924

Why are there two Mw.?

I think the CAS number is 33069-62-4 as you comment. BUT, I don’t have access to Scifinder to confirm. There are likely CAS people reading this blog so it would be great if they could clean it up for us please!

Problems…the molecule taxol has the name S-Isoserine? Hmmm… No

One of the formulae, there are three, is listed as C46H51NO14. Hmmm…No

The name listed is very confusing for me: [2aR-[2aa,4b,4ab,6a,9a(aR,bS),11a,12a,12aa,12ba]]-b-(Benzoylamino)-a-hydroxy-6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl

The InCHI you listed (InChI=1/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t31-,32-,33+,35-,36+,37+,38-,40-,45+,46-,47+/m0/s1)

does connect with the ChemSPider record http://www.chemspider.com/RecordView.aspx?id=16739643

Where did you get THIS SMILES? “[H][C@]12[C@H](OC(=O)C3=CC=CC=C3)[C@]4(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)C5=CC=CC=C5)C6=CC=CC=C6)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]1(C)[C@@H](O)C[C@H]7OC[C@@]27OC(C)=O)C4(C)C
” It appears to be consistent with what I think taxol is…

AuxInfo=1/1/N:39,44,59,62,63,49,35,29,10,34,36,28,30,9,11,33,37,27,31,8,12,52,15,55,38,43,58,32,26,7,16,50,53,40,22,20,41,2,46,3,24,5,18,61,48,56,13,23,45,60,51,21,47,25,6,19,14,54,42,17,4,57/E:(4,5)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)/it:im/rA:63cHCCOCOCCCCCCCOCCOCOCOCNCOCCCCCCCCCCCCCCCCOCCOCOCCCOCCOCCOCCOCCC/rB:p1;s2;P3;s4;d5;s5;d7;s8;d9;s10;s7d11;s3;N13;s13;s15;P16;s17;d18;s18;N20;s20;P22;s23;d24;s24;d26;s27;d28;s29;s26d30;s22;d32;s33;d34;s35;s32d36;s16;s38;d38;s40;N41;s42;s43;d43;s41;d46;s2s46;N48;s48;N50;s50;n52;s53;s54;s2s53s55;P56;s57;s58;d58;s13s40;s61;s61;/rC:.2089,1.3942,0;.8533,1.8993,0;.7069,1.0313,0;.0044,.5343,0;-.8388,.4818,0;-.4565,1.1939,0;-1.6388,.7336,0;-1.9244,1.5078,0;-2.7347,1.6572,0;-3.2658,1.0282,0;-2.9881,.2493,0;-2.1759,.1099,0;1.1976,.3272,0;.4902,-.1198,0;.9201,-.6158,0;2.3175,-1.1941,0;1.4272,-1.4835,0;.6381,-1.7325,0;.0962,-1.113,0;.1116,-2.3697,0;.4388,-3.1275,0;-.695,-2.5513,0;-1.1884,-3.2167,0;-1.9951,-3.4075,0;-2.6555,-2.9102,0;-2.348,-4.1587,0;-3.1709,-4.2223,0;-3.5284,-4.9664,0;-3.0635,-5.6472,0;-2.2414,-5.5851,0;-1.8836,-4.8411,0;-1.2858,-1.9758,0;-.932,-1.2315,0;-1.3977,-.5527,0;-2.2219,-.6203,0;-2.5759,-1.3614,0;-2.1074,-2.0404,0;3.3202,-.3091,0;4.3309,-.6054,0;2.6225,.5841,0;2.8122,1.425,0;3.4417,1.9674,0;4.248,1.7845,0;4.1409,.9641,0;4.9164,2.2723,0;2.354,2.1465,0;2.8826,2.7901,0;1.5279,2.3335,0;2.0276,2.9953,0;1.48,3.1973,0;1.3969,4.0302,0;.7586,3.5778,0;.0825,3.1681,0;-.733,3.198,0;-.7497,2.3807,0;.0825,2.3374,0;-.5929,1.8352,0;-1.4215,1.9408,0;-2.1736,2.3088,0;-1.5636,2.7484,0;2.0075,.3054,0;2.4381,-.2607,0;1.7971,-.4384,0;

http://chemxtreme.blogspot.com/2007/09/taxol-structure.html

[H][C@]12[C@H](OC(=O)C3=CC=CC=C3)[C@]4(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)C5=CC=CC=C5)C6=CC=CC=C6)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]1(C)[C@@H](O)C[C@H]7OC[C@@]27OC(C)=O)C4(C)C

Chemical Name: (Traditional and ‘authentic’)

Benzenepropanoic acid, b-(benzoylamino)-a-hydroxy-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (aR,bS)-

Name from web:

http://www.chemexper.com/chemicals/supplier/cas/33069-62-4.html

S-Isoserine [2aR-[2aa,4b,4ab,6a,9a(aR,bS),11a,12a,12aa,12ba]]-b-(Benzoylamino)-a-hydroxy-6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl

“is there a way to post the image here.. created from the above smiles using Jchem?”