(4R,4As,6As,12Ar,12Br)-4A,12A-Dihydroxy-4-(Hydroxymethyl)-4,6A,12B-Trimethyl-9-(3,4,5-Trimethoxyphenyl)-4A,6,6A,12,12A,12B-Hexahydro-4H,11H-Benzo[F]Pyrano[4,3-B]Chromene-1,11(5H)-Dione

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Properties Simple | Detailed

Formula C29H34O10
IUPAC Name (4r,4as,6as,12ar,12br)-4a,12a-dihydroxy-4-(hydroxymethyl)-4,6a,12b-trimethyl-9-(3,4,5-trimethoxyphenyl)-4a,6,6a,12,12a,12b-hexahydro-4h,11h-benzo[f]pyrano[4,3-b]chromene-1,11(5h)-dione
Molecular Mass 542.574 g·mol−1
Heat of Formation -1550.9 ± 16.7 kJ·mol−1
Dipole Moment 7.66 ± 1.08 D
Volume 601.05 Å 3
Surface Area 482.04 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy -0.83 ± eV
Point Group Symmetry C1
Synonyms
  • (4r-(4alpha,4abeta,6aalpha,12abeta,12balpha))-4a,5,6a,12,12a,12b-hexahydro-4a,12a-dihydroxy-4-(hydroxymethyl)-4,6a,12b-trimethyl-9-(3,4,5-trimethoxyphenyl)-4h,11h-naphtho(2,1-b)pyrano(3,4-e)pyran-1,11(6h)-dione
  • 4-hmdm-territrem b
  • 4-hydroxymethyl-4-demethylterritrem b
  • 4a,5,6a,12,12a,12b-hexahydro-4a,12a-dihydroxy-4-(hydroxymethyl)-4,6a,12b-trimethyl-9-(3,4,5-trimethoxyphenyl)-4h,11h-naphtho(2,1-b)pyrano(3,4-e)pyran-1,11(6h)-dione (4r-(4alpha,4abeta,6aalpha,12abeta,12balpha))-
  • 4beta-hydroxymethyl-4beta-demethylterritrem b
  • 4h,11h-naphtho(2,1-b)pyrano(3,4-e)pyran-1,11(6h)-dione, 4a,5,6a,12,12a,12b-hexahydro-4a,12a-dihydroxy-4-(hydroxymethyl)-4,6a,12b-trimethyl-9-(3,4,5-trimethoxyphenyl)-, (4r-(4alpha,4abeta,6aalpha,12abeta,12balpha))-
CAS Number(s)
  • 139122-92-2
InChIKey PXIKKOJKOBCLTQ-ZCCUTQAASA-N
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