GHS
GHS Classification Search
[(3R,5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-[(1R)-5-methyl-1-[[(2R,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxymethyl]hex-4-enyl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
CAS Number: 267649-97-8
IUPAC name: [(3R,5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methyl-1-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Molecular formula: C37H60O7
Molecular weight: 616.9
InChI: InChI=1S/C37H60O7/c1-22(2)10-9-11-24(20-42-33-32(41)31(40)28(39)21-43-33)25-14-18-37(8)27-12-13-29-34(4,5)30(44-23(3)38)16-17-35(29,6)26(27)15-19-36(25,37)7/h10,24-25,28-33,39-41H,9,11-21H2,1-8H3/t24-,25+,28+,29-,30+,31-,32+,33+,35+,36+,37-/m0/s1
InChIKey: SBGVGAGMQOZWRL-LIAMVQHLSA-N
SMILES: CC(=CCC[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)[C@H]2CC[C@@]3([C@@]2(CCC4=C3CC[C@@H]5[C@@]4(CC[C@H](C5(C)C)OC(=O)C)C)C)C)C
EINECS: -
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