(3S,4S)-4-[8-[[(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-carbony

(3S,4S)-4-[8-[[(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-carbonyl]amino]octanoylamino]-3-hydroxy-6-methylheptanoic acid

CAS: 150840-75-8

Molecular Formula	`C46H78N2O6`
Molecular Weight	755.1 g/mol
LogP	10.0
Topological Polar Surface Area	136.0 A2
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	6
Rotatable Bonds	16
Exact Mass	754.586
Heavy Atoms	54
Complexity	1380.0

Chemical Identifiers

CAS Number	150840-75-8
SMILES	`CC(C)CC(C(CC(=O)O)O)NC(=O)CCCCCCCNC(=O)C12CCC(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C(=C)C`
InChIKey	`SPZFCKVVHXRLAI-XOCWCZJOSA-N`

📖 Product Overview

(3S,4S)-4-[8-[[(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-carbony (CAS: 150840-75-8) is a chemical compound with molecular formula C46H78N2O6 and molecular weight 755.1 g/mol. Its IUPAC systematic name is (3S,4S)-4-[8-[[(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-carbonyl]amino]octanoylamino]-3-hydroxy-6-methylheptanoic acid. LogP 10.0 Topological Polar Surface Area 136.0 A2 Hydrogen Bond Donors 5 Hydrogen Bond Acceptors 6 Rotatable Bonds 16 Exact Mass 754.586 Heavy Atoms 54 Complexity 1380.0 InChI Key: SPZFCKVVHXRLAI-XOCWCZJOSA-N. SMILES: CC(C)CC(C(CC(=O)O)O)NC(=O)CCCCCCCNC(=O)C12CCC(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C(=C)C.

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Technical Blog Article

Multi-source research profile: chemical properties, regulatory status, and sourcing guide for (3S,4S)-4-[8-[[(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-carbony.

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