Fomeffcinic acid B [3.alpha.,15.alpha.-dihydroxy-24-methylene-lanosta-7,9(11)-dien-21-oic acid]

SpectraBase Compound ID	FkU0LJmTtAs
InChI	InChI=1S/C31H48O4/c1-18(2)19(3)9-10-20(27(34)35)23-17-26(33)31(8)22-11-12-24-28(4,5)25(32)14-15-29(24,6)21(22)13-16-30(23,31)7/h11,13,18,20,23-26,32-33H,3,9-10,12,14-17H2,1-2,4-8H3,(H,34,35)/t20-,23-,24+,25-,26+,29-,30-,31-/m1/s1
InChIKey	DGVHJZPQGFRVEC-ULCNFEHNSA-N Google Search
Mol Weight	484.7 g/mol
Molecular Formula	C31H48O4
Exact Mass	484.35526 g/mol

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SpectraBase Spectrum ID	CGNnRroimj6
Name	Fomeffcinic acid B [3.alpha.,15.alpha.-dihydroxy-24-methylene-lanosta-7,9(11)-dien-21-oic acid]
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C31H48O4
InChI	InChI=1S/C31H48O4/c1-18(2)19(3)9-10-20(27(34)35)23-17-26(33)31(8)22-11-12-24-28(4,5)25(32)14-15-29(24,6)21(22)13-16-30(23,31)7/h11,13,18,20,23-26,32-33H,3,9-10,12,14-17H2,1-2,4-8H3,(H,34,35)/t20-,23-,24+,25-,26+,29-,30-,31-/m1/s1
InChIKey	DGVHJZPQGFRVEC-ULCNFEHNSA-N
Molecular Weight	484.721 g/mol
SMILES	OC([C@@]([C@@]1([C@]2(CC=C3C([C@@]2([C@](C1)(O)[H])C)=CC[C@@]1([C@@]3(CC[C@](C1(C)C)(O)[H])C)[H])C)[H])(CCC(=C)C(C)C)[H])=O
SPLASH	splash10-001i-2210900000-ed31c0d57c783521c1f6
Source of Spectrum	E2-52-1377-2
Synonyms	(2R)-2-[(3R,5R,10S,13R,14R,15S,17R)-3,15-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-5-methyleneheptanoic acid (2R)-2-[(3R,5R,10S,13R,14R,15S,17R)-3,15-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptanoic acid (2R)-2-[(3R,5R,10S,13R,14R,15S,17R)-3,15-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylene-heptanoic acid (2R)-6-methyl-5-methylidene-2-[(3R,5R,10S,13R,14R,15S,17R)-4,4,10,13,14-pentamethyl-3,15-bis(oxidanyl)-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]heptanoic acid
Wiley ID	1556551