ChemSpider 2D Image | (2S,3R,3'R,3''R,4'S,4a'R,5S,5a'R,6a'S,6b'R,8a'S,11a'S,11b'S,13'R,13a'R,13b'S,14'S,16a'S,17b'R,19a'S,22a'S,22b'R,24a'S)-3,3'',13',13b',22b'-Pentahydroxy-5-(hydroxymethyl)-4',5,5'',5'',11a',13a',14',22a
'-octamethyl-4,4',4'',4a',5,5',5'',5a',7',8',8a',9',11',11a',11b',12',13',13a',13b',14',16a',17b',18',19',19a',20',22',22a',22b',23'-triacontahydro-3H,3''H-dispiro[furan-2,15'-furo[3'',2'':3',4']cyclo
penta[1',2':5,6]naphtho[1,2-b]oxireno[1',5'] | C54H74N2O12

(2S,3R,3'R,3''R,4'S,4a'R,5S,5a'R,6a'S,6b'R,8a'S,11a'S,11b'S,13'R,13a'R,13b'S,14'S,16a'S,17b'R,19a'S,22a'S,22b'R,24a'S)-3,3'',13',13b',22b'-Pentahydroxy-5-(hydroxymethyl)-4',5,5'',5'',11a',13a',14',22a '-octamethyl-4,4',4'',4a',5,5',5'',5a',7',8',8a',9',11',11a',11b',12',13',13a',13b',14',16a',17b',18',19',19a',20',22',22a',22b',23'-triacontahydro-3H,3''H-dispiro[furan-2,15'-furo[3'',2'':3',4']cyclo penta[1',2':5,6]naphtho[1,2-b]oxireno[1',5']

  • Molecular FormulaC54H74N2O12
  • Average mass943.172 Da
  • Monoisotopic mass942.524170 Da
  • ChemSpider ID10472153
  • defined stereocentres - 23 of 23 defined stereocentres


More details:






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

(2S,3R,3'R,3''R,4'S,4a'R,5S,5a'R,6a'S,6b'R,8a'S,11a'S,11b'S,13'R,13a'R,13b'S,14'S,16a'S,17b'R,19a'S,22a'S,22b'R,24a'S)-3,3'',13',13b',22b'-Pentahydroxy-5-(hydroxymethyl)-4',5,5'',5'',11a',13a',14',22a '-octamethyl-4,4',4'',4a',5,5',5'',5a',7',8',8a',9',11',11a',11b',12',13',13a',13b',14',16a',17b',18',19',19a',20',22',22a',22b',23'-triacontahydro-3H,3''H-dispiro[furan-2,15'-furo[3'',2'':3',4']cyclo penta[1',2':5,6]naphtho[1,2-b]oxireno[1',5'] [ACD/IUPAC Name]
Dispiro[furan-2(3H),15'-[1H,3H,15H]furo[3'',2'':3',4']cyclopenta[1',2':5,6]naphth[1,2-b]oxireno[1',5']pyrano[3'',4'':2',3']cyclopenta[1',2':5,6]naphtho[1,2-i]phenazine-3',2''(3''H)-furan]-24'(8'H)-one , 4,4',4'',4'a,5,5',5'',5'a,6'b,7',8'a,9',11',11'a,11'b,12',13',13'a,13'b,14',16'a,17'b,18',19',19'a,20',22',22'a,22'b,23'-triacontahydro-3,3'',13',13'b,22'b-pentahydroxy-5-(hydroxymethyl)-4',5,5'',5' ',11'a,13'a,14',22'a-octamethyl-, (2S,3R,3'R [ACD/Index Name]
116229-58-4 [RN]
cephalostatin 4

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: 1.674
Molar Refractivity: 244.8±0.4 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 4
ACD/LogP: 5.16
ACD/LogD (pH 5.5): 4.99
ACD/BCF (pH 5.5): 3620.85
ACD/KOC (pH 5.5): 12270.53
ACD/LogD (pH 7.4): 4.99
ACD/BCF (pH 7.4): 3624.51
ACD/KOC (pH 7.4): 12282.96
Polar Surface Area: 214 Å2
Polarizability: 97.1±0.5 10-24cm3
Surface Tension: 77.3±5.0 dyne/cm
Molar Volume: 652.5±5.0 cm3

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