(1R,2S,3R,4S,7S,8R,13R,14R,16R,17S,18S,20S,22R,23S,25S)-13-hydroxy-2,4,8,23,25-pentamethyl-15,21,24,27-tetraoxaoctacyclo[20.4.1.03,20.04,18.07,17.08,13.014,16.023,25]heptacos-10-en-9-one

(1R,2S,3R,4S,7S,8R,13R,14R,16R,17S,18S,20S,22R,23S,25S)-13-hydroxy-2,4,8,23,25-pentamethyl-15,21,24,27-tetraoxaoctacyclo[20.4.1.03,20.04,18.07,17.08,13.014,16.023,25]heptacos-10-en-9-one

Also Known As: Ergost-2-en-1-one, 6,7:16,26:22,26:24,25-tetraepoxy-5-hydroxy-, (5alpha,6alpha,7alpha,16alpha,22R,24S,25S,26R)-|(1aR,1bR,5aR,5bS,7aS,7bR,8S,9R,10aS,11aS,12R,13aS,14aS,14bS,14cR)-1b-Hydroxy-5a,7a,8,10a,11a-pentamethyl-1a,1b,2,5a,5b,6,7,7a,7b,8,9,10,10a,11a,12,13a,14,14a,14b,14c-icosahydro-5H-9,12-epoxyoxireno[g]oxireno[3',4']naphtho[2',1':4,5]indeno[2,1-b]oxonin-5-one|1b-Hydroxy-5a,7a,8,10a,11a-pentamethyl-1a,1b,2,5a,5b,6,7,7a,7b,8,9,10,10a,11a,12,13a,14,14a,14b,14c-icosahydro-5H-9,12-epoxyoxireno[g]oxireno[3',4']naphtho[2',1':4,5]indeno[2,1-b]oxonin-5-one|Ergost-2-en-1-one,6,7:16,26:22,26:24,25-tetraepoxy-5-hydroxy-,(5alpha,6alpha,7alpha,16alpha,22R,24S,25S,26R)

Molecular Formula	C28H38O6
Molecular Weight	470.26685 g/mol
LogP	3.2
Topological Polar Surface Area	80.8 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	0
Exact Mass	470.26685
Monoisotopic Mass	470.26685
Heavy Atoms	34
Complexity	1030.0

Chemical Identifiers

CAS Number	75005-65-1
SMILES	C[C@@H]1[C@H]2C[C@]3([C@](O3)([C@H](O2)O[C@@H]4[C@H]1[C@]5(CC[C@H]6[C@H]([C@@H]5C4)[C@@H]7[C@@H](O7)[C@@]8([C@@]6(C(=O)C=CC8)C)O)C)C)C
InChIKey	VSIKUEYYWYOECW-JKWOIBRDSA-N