(E,2Z)-2-[(3R,4S,8S,9S,10S,11R,14S,16S)-16-acetyloxy-4,8,10,14-tetramethyl-3,11-bis(oxidanyl)-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-5-propan-2-ylidene-undec-6-enoic acid

Systemtic Name: (E,2Z)-2-[(3R,4S,8S,9S,10S,11R,14S,16S)-16-acetyloxy-4,8,10,14-tetramethyl-3,11-bis(oxidanyl)-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-5-propan-2-ylidene-undec-6-enoic acid Openeye Name: (E,2Z)-2-[(3R,4S,8S,9S,10S,11R,14S,16S)-16-acetoxy-3,11-dihydroxy-4,8,10,14-tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-5-isopropylidene-undec-6-enoic acid CAS Name: (E,2Z)-2-[(3R,4S,8S,9S,10S,11R,14S,16S)-16-acetyloxy-3,11-dihydroxy-4,8,10,14-tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-5-propan-2-ylidene-6-undecenoic acid IUPAC Name: (E,2Z)-2-[(3R,4S,8S,9S,10S,11R,14S,16S)-16-acetyloxy-3,11-dihydroxy-4,8,10,14-tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-5-propan-2-ylideneundec-6-enoic acid Traditional Name: (E,2Z)-2-[(3R,4S,8S,9S,10S,11R,14S,16S)-16-acetoxy-3,11-dihydroxy-4,8,10,14-tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-5-isopropylidene-undec-6-enoic acid Formula: C37H58O6 MolecularWeight: 598.85282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC=CC(=C(C)C)CCC(=C1C2CC(C3C4(CCC(C(C4CCC3(C2(CC1OC(=O)C)C)C)C)O)C)O)C(=O)O

Isomeric SMILES

CCCC/C=C/C(=C(C)C)CC/C(=C\1/[C@H](C[C@]2(C1C[C@H]([C@@H]3[C@@]2(CCC4[C@@]3(CC[C@H]([C@H]4C)O)C)C)O)C)OC(=O)C)/C(=O)O

InChI

InChI=1S/C37H58O6/c1-9-10-11-12-13-25(22(2)3)14-15-26(34(41)42)32-28-20-30(40)33-35(6)18-17-29(39)23(4)27(35)16-19-36(33,7)37(28,8)21-31(32)43-24(5)38/h12-13,23,27-31,33,39-40H,9-11,14-21H2,1-8H3,(H,41,42)/b13-12+,32-26-/t23-,27?,28?,29+,30+,31-,33-,35-,36-,37-/m0/s1