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CAS 65445-15-0

:

9,10-Secocholesta-5,7,10(19)-triene-1,3-diol, (1β,3β,5E,7E)-

Description:
9,10-Secocholesta-5,7,10(19)-triene-1,3-diol, also known by its CAS number 65445-15-0, is a steroid derivative characterized by its unique structural features, including a triene system and hydroxyl groups at the 1 and 3 positions. This compound is part of the secosteroid family, which are modified steroids that typically have a broken ring structure. The presence of double bonds in the triene configuration contributes to its reactivity and potential biological activity. The specific stereochemistry indicated by the (1β,3β,5E,7E) notation suggests particular spatial arrangements of the atoms, which can significantly influence the compound's interactions with biological systems. Such compounds are often studied for their roles in various biochemical pathways, including those related to steroid metabolism and signaling. Additionally, their structural characteristics may allow for interactions with specific receptors or enzymes, making them of interest in pharmacological research. Overall, 9,10-secocholesta-5,7,10(19)-triene-1,3-diol represents a complex and potentially bioactive chemical entity within the steroid framework.
Formula:C27H44O2
InChI:InChI=1S/C27H44O2/c1-18(2)8-6-9-19(3)24-13-14-25-21(10-7-15-27(24,25)5)11-12-22-16-23(28)17-26(29)20(22)4/h11-12,18-19,23-26,28-29H,4,6-10,13-17H2,1-3,5H3/b21-11+,22-12+/t19-,23-,24-,25+,26-,27-/m1/s1
InChI key:InChIKey=OFHCOWSQAMBJIW-SJPBCETESA-N
SMILES:C[C@@]12[C@](\C(=C\C=C/3\C(=C)[C@H](O)C[C@H](O)C3)\CCC1)(CC[C@@]2([C@@H](CCCC(C)C)C)[H])[H]
Synonyms:
  • 9,10-Secocholesta-5,7,10(19)-triene-1,3-diol, (1β,3β,5E,7E)-
  • (1R,3R,E)-5-(2-((1R,3aS,7aR,E)-7a-Methyl-1-((R)-6-methylheptan-2-yl)octahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol
  • Alfacalcidol beta
  • 9,10-Secocholesta-5,7,10(19)-triene-1,3-diol, (1β,3β,5E,7E)- (9CI)
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