Try beta.chemspider
- 7 of 7 defined stereocentres
- Non-standard isotope
(1R,1'R,2'R,3'R,11'S,12'S,14'R)-5',6,12'-Trihydroxy-6'-methoxy-7',21',30'-trimethyl-7-[(~2~H_3_)methyloxy]-27'-oxo-3,4-dihydro-2H-spiro[isoquinoline-1,26'-[17,19,28]trioxa[24]thia[13,30]diazaheptacycl o[12.9.6.1~3,11~.0~2,13~.0~4,9~.0~15,23~.0~16,20~]triaconta[4,6,8,15,20,22]hexaen]-22'-yl acetate
[2H]C([2H])([2H])OC1C=C2C(CCN[C@@]32CS[C@H]2[C@H]4[C@H]5C6C(C[C@@H]([C@H](O)N4[C@@H](COC3=O)C3C2=C(OC(C)=O)C(C)=C2OCOC2=3)N5C)=CC(C)=C(OC)C=6O)=CC=1O
InChI=1S/C39H43N3O11S/c1-16-9-20-10-22-37(46)42-23-13-50-38(47)39(21-12-25(48-5)24(44)11-19(21)7-8-40-39)14-54-36(30(42)29(41(22)4)26(20)31(45)32(16)49-6)28-27(23)35-34(51-15-52-35)17(2)33(28)53-18(3)43/h9,11-12,22-23,29-30,36-37,40,44-46H,7-8,10,13-15H2,1-6H3/t22-,23-,29+,30+,36+,37-,39+/m0/s1/i5D3
PKVRCIRHQMSYJX-XZWDGPCNSA-N
CSID:115010952, http://www.chemspider.com/Chemical-Structure.115010952.html (accessed 16:13, Apr 28, 2024)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
Click to predict properties on the Chemicalize site
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