ChemSpider 2D Image | (1'S,2S,2'S,3R,3a'S,4''R,4b'R,5S,6a'S,9a'S,9b'S,11'R,11a'R,11b'S,12'S,14a'S,15b'R,17a'S,20a'S,20b'S,22'R,22a'R,22b'R)-5,22a'-Bis(hydroxymethyl)-1',4'',5,5'',5'',9a',11a',12',20a'-nonamethyl-1',3a',4,4 '',4b',5,5',5'',6',6a',7',9',9a',9b',10',11',11a',14a',15b',16',17',17a',18',20',20a',20b',21',22',22a',22b'-triacontahydro-3H,3''H-dispiro[furan-2,13'-bisfuro[3'',2'':3',4']cyclopenta[1',2':5,6]napht ho[1,2-b:1',2'-i]phenazine-2',2''-furan]-3,1 | C55H78N2O10

(1'S,2S,2'S,3R,3a'S,4''R,4b'R,5S,6a'S,9a'S,9b'S,11'R,11a'R,11b'S,12'S,14a'S,15b'R,17a'S,20a'S,20b'S,22'R,22a'R,22b'R)-5,22a'-Bis(hydroxymethyl)-1',4'',5,5'',5'',9a',11a',12',20a'-nonamethyl-1',3a',4,4 '',4b',5,5',5'',6',6a',7',9',9a',9b',10',11',11a',14a',15b',16',17',17a',18',20',20a',20b',21',22',22a',22b'-triacontahydro-3H,3''H-dispiro[furan-2,13'-bisfuro[3'',2'':3',4']cyclopenta[1',2':5,6]napht ho[1,2-b:1',2'-i]phenazine-2',2''-furan]-3,1

  • Molecular FormulaC55H78N2O10
  • Average mass927.215 Da
  • Monoisotopic mass926.565674 Da
  • ChemSpider ID23314403

  • defined stereocentres - 23 of 23 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1'S,2S,2'S,3R,3a'S,4''R,4b'R,5S,6a'S,9a'S,9b'S,11'R,11a'R,11b'S,12'S,14a'S,15b'R,17a'S,20a'S,20b'S,22'R,22a'R,22b'R)-5,22a'-Bis(hydroxymethyl)-1',4'',5,5'',5'',9a',11a',12',20a'-nonamethyl-1',3a',4,4 '',4b',5,5',5'',6',6a',7',9',9a',9b',10',11',11a',14a',15b',16',17',17a',18',20',20a',20b',21',22',22a',22b'-triacontahydro-3H,3''H-dispiro[furan-2,13'-bisfuro[3'',2'':3',4']cyclopenta[1',2':5,6]napht ho[1,2-b:1',2'-i]phenazine-2',2''-furan]-3,1 [ACD/IUPAC Name]
Dispiro[furan-2(3H),13'(2'H)-bisfuro[3'',2'':3',4']cyclopenta[1',2':5,6]naphtho[1,2-b:1',2'-i]phenazine-2',2''(3''H)-furan]-3,11',11'b,22'(12'H)-tetrol, 1',3'a,4,4'',4'b,5,5',5'',6',6'a,7',9',9'a,9'b, 10',11',11'a,14'a,15'b,16',17',17'a,18',20',20'a,20'b,21',22',22'a,22'b-triacontahydro-5,22'a-bis(hydroxymethyl)-1',4'',5,5'',5'',9'a,11'a,12',20'a-nonamethyl-, (1'S,2S,2'S,3R,3a'S,4''R,4b'R,5S,6a'S,9 a'S,9b'S,11'R,11a'R,11b'S,12'S,14a'S,15b'R,1 [ACD/Index Name]
138605-83-1 [RN]
cephalostatin 8

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.656
Molar Refractivity: 249.3±0.4 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 4
ACD/LogP: 6.65
ACD/LogD (pH 5.5): 6.49
ACD/BCF (pH 5.5): 50514.42
ACD/KOC (pH 5.5): 80929.23
ACD/LogD (pH 7.4): 6.49
ACD/BCF (pH 7.4): 50587.80
ACD/KOC (pH 7.4): 81046.78
Polar Surface Area: 184 Å2
Polarizability: 98.8±0.5 10-24cm3
Surface Tension: 70.6±5.0 dyne/cm
Molar Volume: 678.4±5.0 cm3

Click to predict properties on the Chemicalize site


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