(1R,3S,5R,6aR,7R,8R,9S,10S,10aR)-1,3-Bis(acetyloxy)-3,5,6,6a,7,8,9,10-octahydro-9,10-dihydroxy-7,8-dimethyl-7-[(2Z)-3-methyl-2,4-pentadien-1-yl]-1H-naphtho[1,8a-c]furan-5-yl 3-methylbutanoate

CAS Registry Number®

225923-37-5

CAS Name

(1R,3S,5R,6aR,7R,8R,9S,10S,10aR)-1,3-Bis(acetyloxy)-3,5,6,6a,7,8,9,10-octahydro-9,10-dihydroxy-7,8-dimethyl-7-[(2Z)-3-methyl-2,4-pentadien-1-yl]-1H-naphtho[1,8a-c]furan-5-yl 3-methylbutanoate

Molecular Formula

C29H42O9

Molecular Mass

534.64

Cite this Page

(1R,3S,5R,6aR,7R,8R,9S,10S,10aR)-1,3-Bis(acetyloxy)-3,5,6,6a,7,8,9,10-octahydro-9,10-dihydroxy-7,8-dimethyl-7-[(2Z)-3-methyl-2,4-pentadien-1-yl]-1H-naphtho[1,8a-c]furan-5-yl 3-methylbutanoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=225923-37-5 (retrieved 2025-05-21) (CAS RN: 225923-37-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    145-147 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C29H42O9/c1-9-16(4)10-11-28(8)17(5)24(33)25(34)29-21(26(35-18(6)30)38-27(29)36-19(7)31)13-20(14-22(28)29)37-23(32)12-15(2)3/h9-10,13,15,17,20,22,24-27,33-34H,1,11-12,14H2,2-8H3/b16-10-/t17-,20-,22+,24-,25+,26+,27-,28-,29-/m0/s1

InChIKey

InChIKey=LPSTZZWXOOHMOA-SWXFDNNUSA-N

SMILES

O(C(C)=O)[C@@H]1[C@@]23[C@@]([C@](C/C=C(\C=C)/C)(C)[C@@H](C)[C@H](O)[C@H]2O)(C[C@@H](OC(CC(C)C)=O)C=C3[C@H](OC(C)=O)O1)[H]

Canonical SMILES

O=C(OC1OC(OC(=O)C)C23C1=CC(OC(=O)CC(C)C)CC2C(C)(CC=C(C=C)C)C(C)C(O)C3O)C

Other Names for this Substance

  • Butanoic acid, 3-methyl-, (1R,3S,5R,6aR,7R,8R,9S,10S,10aR)-1,3-bis(acetyloxy)-3,5,6,6a,7,8,9,10-octahydro-9,10-dihydroxy-7,8-dimethyl-7-[(2Z)-3-methyl-2,4-pentadien-1-yl]-1H-naphtho[1,8a-c]furan-5-yl ester
  • Butanoic acid, 3-methyl-, (1R,3S,5R,6aR,7R,8R,9S,10S,10aR)-1,3-bis(acetyloxy)-3,5,6,6a,7,8,9,10-octahydro-9,10-dihydroxy-7,8-dimethyl-7-[(2Z)-3-methyl-2,4-pentadienyl]-1H-naphtho[1,8a-c]furan-5-yl ester
  • (1R,3S,5R,6aR,7R,8R,9S,10S,10aR)-1,3-Bis(acetyloxy)-3,5,6,6a,7,8,9,10-octahydro-9,10-dihydroxy-7,8-dimethyl-7-[(2Z)-3-methyl-2,4-pentadien-1-yl]-1H-naphtho[1,8a-c]furan-5-yl 3-methylbutanoate
  • Esculentin B

CAS INSIGHTSTM
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