Fornicatins B [7.beta.-hydroxy-11-oxo-3,4-seco-25,26,27-trinorlanosta-4(28),8-dien-3,24-dioic acid]

SpectraBase Compound ID	7HS9L5eymoO
InChI	InChI=1S/C27H40O6/c1-15(2)18-13-19(28)24-23(25(18,4)11-10-22(32)33)20(29)14-27(6)17(9-12-26(24,27)5)16(3)7-8-21(30)31/h16-19,28H,1,7-14H2,2-6H3,(H,30,31)(H,32,33)/t16-,17-,18+,19+,25+,26+,27-/m1/s1
InChIKey	YXVYBSGFMJBSQD-YDTNFRICSA-N Google Search
Mol Weight	460.6 g/mol
Molecular Formula	C27H40O6
Exact Mass	460.282489 g/mol

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SpectraBase Spectrum ID	7sH6RZeGNze
Name	Fornicatins B [7.beta.-hydroxy-11-oxo-3,4-seco-25,26,27-trinorlanosta-4(28),8-dien-3,24-dioic acid]
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C27H40O6
InChI	InChI=1S/C27H40O6/c1-15(2)18-13-19(28)24-23(25(18,4)11-10-22(32)33)20(29)14-27(6)17(9-12-26(24,27)5)16(3)7-8-21(30)31/h16-19,28H,1,7-14H2,2-6H3,(H,30,31)(H,32,33)/t16-,17-,18+,19+,25+,26+,27-/m1/s1
InChIKey	YXVYBSGFMJBSQD-YDTNFRICSA-N
Molecular Weight	460.611 g/mol
SMILES	OC(CC[C@]([C@]1(CC[C@]2(C3=C([C@@](CCC(=O)O)([C@@](C[C@@]3(O)[H])(C(=C)C)[H])C)C(C[C@]12C)=O)C)[H])(C)[H])=O
SPLASH	splash10-0aor-9823000000-b21ff01ca1f89eea1243
Source of Spectrum	Y1-45-2992-2
Synonyms	(4R)-4-[(3R,3aR,6S,7S,9S,9bR)-6-(2-carboxyethyl)-9-hydroxy-3a,6,9b-trimethyl-7-(1-methylethenyl)-5-oxo-2,3,4,7,8,9-hexahydro-1H-cyclopenta[a]naphthalen-3-yl]pentanoic acid (4R)-4-[(3R,3aR,6S,7S,9S,9bR)-6-(2-carboxyethyl)-9-hydroxy-3a,6,9b-trimethyl-5-oxo-7-prop-1-en-2-yl-2,3,4,7,8,9-hexahydro-1H-cyclopenta[a]naphthalen-3-yl]pentanoic acid (4R)-4-[(3R,3aR,6S,7S,9S,9bR)-6-(2-carboxyethyl)-9-hydroxy-7-isopropenyl-3a,6,9b-trimethyl-5-oxo-2,3,4,7,8,9-hexahydro-1H-cyclopenta[a]naphthalen-3-yl]pentanoic acid (4R)-4-[(3R,3aR,6S,7S,9S,9bR)-6-(3-hydroxy-3-oxopropyl)-3a,6,9b-trimethyl-9-oxidanyl-5-oxidanylidene-7-prop-1-en-2-yl-2,3,4,7,8,9-hexahydro-1H-cyclopenta[a]naphthalen-3-yl]pentanoic acid
Wiley ID	1621912