BETULIN-ALDEHYDE;3-BETA-HYDROXY-LUP-20(29)-ENE-28-AL

SpectraBase Compound ID	4Y7ImuGsexe
InChI	InChI=1S/C30H48O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h18,20-25,32H,1,8-17H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1
InChIKey	FELCJAPFJOPHSD-ROUWMTJPSA-N Google Search
Mol Weight	440.7 g/mol
Molecular Formula	C30H48O2
Exact Mass	440.365431 g/mol

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SpectraBase Spectrum ID	DDNSWAr3S4V
Name	(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-9-oxidanyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carbaldehyde
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C30H48O2
InChI	InChI=1S/C30H48O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h18,20-25,32H,1,8-17H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1
InChIKey	FELCJAPFJOPHSD-ROUWMTJPSA-N
Molecular Weight	440.712 g/mol
SMILES	O[C@@]1(C([C@@]2(CC[C@]3([C@]4([C@@]([C@]5([C@](C(=C)C)(CC[C@@]5(CC4)C=O)[H])[H])(CC[C@@]3([C@]2(CC1)C)[H])[H])C)C)[H])(C)C)[H]
SPLASH	splash10-052u-0890500000-dece17f255413db174c5
Source of Spectrum	X2-57-1250-0
Synonyms	(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carbaldehyde (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-(1-methylethenyl)-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxaldehyde (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carbaldehyde
Wiley ID	1605629