(2E)-2-[(1R,4aS,4bR,8S,8aR,10aS)-8-carbomethoxy-10-keto-1,4b,8-trimethyl-1,3,4,4a,5,6,7,8a,9,10a-decahydrophenanthren-2-ylidene]acetic acid

SpectraBase Compound ID	1efIHgGEbAq
InChI	InChI=1S/C21H30O5/c1-12-13(10-17(23)24)6-7-14-18(12)15(22)11-16-20(14,2)8-5-9-21(16,3)19(25)26-4/h10,12,14,16,18H,5-9,11H2,1-4H3,(H,23,24)/b13-10+/t12-,14-,16+,18-,20+,21-/m0/s1
InChIKey	LXJSFBJEYLPDJS-GZNPDOHQSA-N Google Search
Mol Weight	362.47 g/mol
Molecular Formula	C21H30O5
Exact Mass	362.209324 g/mol

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SpectraBase Spectrum ID	1ec3f9dx7Lf
Name	(2E)-2-[(1R,4aS,4bR,8S,8aR,10aS)-8-carbomethoxy-10-keto-1,4b,8-trimethyl-1,3,4,4a,5,6,7,8a,9,10a-decahydrophenanthren-2-ylidene]acetic acid
CAS Registry Number	471-70-5
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H30O5
InChI	InChI=1S/C21H30O5/c1-12-13(10-17(23)24)6-7-14-18(12)15(22)11-16-20(14,2)8-5-9-21(16,3)19(25)26-4/h10,12,14,16,18H,5-9,11H2,1-4H3,(H,23,24)/b13-10+/t12-,14-,16+,18-,20+,21-/m0/s1
InChIKey	LXJSFBJEYLPDJS-GZNPDOHQSA-N
Molecular Weight	362.466 g/mol
SMILES	OC(\C=C/1CC[C@@]2([C@@]3([C@]([C@](C(=O)OC)(C)CCC3)(CC([C@]2([C@]1(C)[H])[H])=O)[H])C)[H])=O
SPLASH	splash10-0a4l-6952000000-97a2b2c4455aa7515920
Source of Spectrum	EP-7989-0-0
Synonyms	(2E)-2-[(1R,4aS,4bR,8S,8aR,10aS)-8-methoxycarbonyl-1,4b,8-trimethyl-10-oxidanylidene-1,3,4,4a,5,6,7,8a,9,10a-decahydrophenanthren-2-ylidene]ethanoic acid (2E)-2-[(1R,4aS,4bR,8S,8aR,10aS)-8-methoxycarbonyl-1,4b,8-trimethyl-10-oxo-1,3,4,4a,5,6,7,8a,9,10a-decahydrophenanthren-2-ylidene]acetic acid
Wiley ID	1349712