3,4-SECO-URS-20-(30)-EN-3-OIC_ACID

SpectraBase Compound ID	LdC6WxaK6E
InChI	InChI=1S/C30H50O2/c1-19(2)22-10-16-29(7)23(28(22,6)18-13-25(31)32)12-17-30(8)24(29)11-15-27(5)14-9-20(3)21(4)26(27)30/h19,21-24,26H,3,9-18H2,1-2,4-8H3,(H,31,32)/t21-,22-,23+,24-,26-,27+,28-,29+,30-/m0/s1
InChIKey	CXSHYRUNEXVKRX-OBHNEMDBSA-N Google Search
Mol Weight	442.7 g/mol
Molecular Formula	C30H50O2
Exact Mass	442.381081 g/mol

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SpectraBase Spectrum ID	BhpOIqrYyQt
Name	3-[(1S,2S,4aR,4bS,6aS,10R,10aS,10bS,12aR)-1,4a,6a,10,10b-pentamethyl-9-methylene-2-propan-2-yl-3,4,4b,5,6,7,8,10,10a,11,12,12a-dodecahydro-2H-chrysen-1-yl]propanoic acid
Alternate Name(s)	3-[(1S,2S,4aR,4bS,6aS,10R,10aS,10bS,12aR)-1,4a,6a,10,10b-pentamethyl-9-methylidene-2-propan-2-yl-3,4,4b,5,6,7,8,10,10a,11,12,12a-dodecahydro-2H-chrysen-1-yl]propanoic acid 3-[(1S,2S,4aR,4bS,6aS,10R,10aS,10bS,12aR)-2-isopropyl-1,4a,6a,10,10b-pentamethyl-9-methylene-3,4,4b,5,6,7,8,10,10a,11,12,12a-dodecahydro-2H-chrysen-1-yl]propanoic acid 3-[(1S,2S,4aR,4bS,6aS,10R,10aS,10bS,12aR)-2-isopropyl-1,4a,6a,10,10b-pentamethyl-9-methylene-3,4,4b,5,6,7,8,10,10a,11,12,12a-dodecahydro-2H-chrysen-1-yl]propionic acid
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C30H50O2
InChI	InChI=1S/C30H50O2/c1-19(2)22-10-16-29(7)23(28(22,6)18-13-25(31)32)12-17-30(8)24(29)11-15-27(5)14-9-20(3)21(4)26(27)30/h19,21-24,26H,3,9-18H2,1-2,4-8H3,(H,31,32)/t21-,22-,23+,24-,26-,27+,28-,29+,30-/m0/s1
InChIKey	CXSHYRUNEXVKRX-OBHNEMDBSA-N
Molecular Weight	442.728 g/mol
SMILES	OC(CC[C@@]1([C@]2(CC[C@]3([C@]([C@@]2(CC[C@]1(C(C)C)[H])C)(CC[C@@]1([C@@]3([C@](C(CC1)=C)(C)[H])[H])C)[H])C)[H])C)=O
SPLASH	splash10-0006-0009000000-105284b1a11ceeae24c2
Source of Spectrum	X2-68-1498-22
Wiley ID	1609735