Ergost-5-en-3-ol, 3-(3,4-dihydroxyphenyl)-2-propenoate, (3β,24R)-

CAS Registry Number®

75873-74-4
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CAS Name

Ergost-5-en-3-ol, 3-(3,4-dihydroxyphenyl)-2-propenoate, (3β,24R)-

Molecular Formula

C37H54O4

Molecular Mass

562.82

Cite this Page

Ergost-5-en-3-ol, 3-(3,4-dihydroxyphenyl)-2-propenoate, (3β,24R)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=75873-74-4 (retrieved 2024-09-19) (CAS RN: 75873-74-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C37H54O4/c1-23(2)24(3)7-8-25(4)30-13-14-31-29-12-11-27-22-28(17-19-36(27,5)32(29)18-20-37(30,31)6)41-35(40)16-10-26-9-15-33(38)34(39)21-26/h9-11,15-16,21,23-25,28-32,38-39H,7-8,12-14,17-20,22H2,1-6H3/t24-,25-,28+,29+,30-,31+,32+,36+,37-/m1/s1

InChIKey

InChIKey=ZXDDRZYEBDQKAY-PEOOPBFUSA-N

SMILES

C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@]([C@@H](CC[C@H](C(C)C)C)C)(CC4)[H])[H])(CC=C1C[C@@H](OC(C=CC5=CC(O)=C(O)C=C5)=O)CC2)[H])[H]

Canonical SMILES

O=C(OC1CC2=CCC3C(CCC4(C)C(CCC34)C(C)CCC(C)C(C)C)C2(C)CC1)C=CC5=CC=C(O)C(O)=C5

Other Names for this Substance

  • Ergost-5-en-3-ol, 3-(3,4-dihydroxyphenyl)-2-propenoate, (3β,24R)-